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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02139588

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE
A1RW80.73
KS51-(1-methylethyl)-3-quinolin-6-
yl-1H-pyrazolo[3,4-d]pyrimidin-
4-amine
B3EN60.71
POX4-amino-6-{[1-(3-fluorobenzyl)-
1H-indazol-5-yl]amino}pyrimidine-
5-carbaldehyde O-(2-methoxyethyl)oxime
A3BEL0.72
PD51-{4-[4-amino-1-(1-methylethyl)-
1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-
3-[3-(trifluoromethyl)phenyl]urea
A3EL80.74
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA
A,B1PWP0.73
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
A3DBC0.76
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE
A,B1L1H0.71
6SC3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3R0.73
L0FN-[3-(1H-BENZIMIDAZOL-2-YL)-1H-
PYRAZOL-4-YL]BENZAMIDE
A2W1F0.72
1AW1-[1-(3-aminophenyl)-3-tert-butyl-
1H-pyrazol-5-yl]-3-phenylurea
A,B3F3U0.82
9285-amino-1-(4-chlorophenyl)-1H-pyrazole-
4-carbonitrile
A3EJ20.73
LL13-pyridin-4-yl-1H-indazoleA3DNE0.72
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.73
QPPN-(5-METHYL-1H-PYRAZOL-3-YL)-2-
PHENYLQUINAZOLIN-4-AMINE
A,C2JC60.72
UN3(2-METHYL-5-PHENYL-2H-PYRAZOL-3-
YL)-SULFAMIC ACID
A2F6W0.72
P294-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-
2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-
8-CARBONITRILE
A2PVM0.71
SCQ3-bromo-5-phenyl-N-(pyrimidin-5-
ylmethyl)pyrazolo[1,5-a]pyridin-
7-amine
A2R3K0.7
QIGN-1H-indazol-5-yl-2-(6-methylpyridin-
2-yl)quinazolin-4-amine
A3GXL0.72
19AN,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-
3-YL)-1H-PYRROLE-2-CARBOXAMIDE
A2OJG0.71
1AU1-[1-(3-aminophenyl)-3-tert-butyl-
1H-pyrazol-5-yl]-3-naphthalen-1-
ylurea
A3F3T0.78
HYZN-[1-(3-fluorobenzyl)-1H-indazol-
5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-
4,6-diamine
A2RGP0.72
P452-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVK0.73
DMZ4-METHYL-N-METHYL-N-(2-PHENYL-2H-
PYRAZOL-3-YL)BENZENESULFONAMIDE
A1N6B0.77
P63N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE
A2PVN0.79
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.7
KS11-cyclopentyl-3-(1H-pyrrolo[2,3-
b]pyridin-5-yl)-1H-pyrazolo[3,4-
d]pyrimidin-4-amine
A,B3EN40.72
SCJ3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3J0.73
P19N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-
2,4-DIAMINE
A2PVH0.78
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.72
5SC3-((3-bromo-5-o-tolylpyrazolo[1,5-
a]pyrimidin-7-ylamino)methyl)pyridine 1-
oxide
A2R3Q0.73
F291-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-
A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-
C]PYRIDAZIN-3-AMINE
A1WZY0.72
P442-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVJ0.77
5BPN-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-
3-ylpyrimidin-2-amine
A,C3EJ10.7
P552-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVL0.75
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA
A2PE10.7
SCXN-((2-aminopyrimidin-5-yl)methyl)-
5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-
a]pyrimidin-7-amine
A2R3M0.7
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.71
SM5(1E)-5-(1-piperidin-4-yl-3-pyridin-
4-yl-1H-pyrazol-4-yl)-2,3-dihydro-
1H-inden-1-one oxime
A,B3D4Q0.74
L0E4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-
1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-
5-YL)METHYL]MORPHOLIN-4-IUM
A2W1E0.71
CQUN-[2-(5-methyl-4H-1,2,4-triazol-
3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-
4-amine
A3CQU0.73
L0HN-[3-(1H-BENZIMIDAZOL-2-YL)-1H-
PYRAZOL-4-YL]BENZAMIDE
A2W1H0.72
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.71
PD31-{3-[(4-amino-1-cyclopentyl-1H-
pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-
3-[3-(trifluoromethyl)phenyl]urea
A3EL70.74
SCF5-(2-fluorophenyl)-N-(pyridin-4-
ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3I0.74
7I27-NITROINDAZOLE-2-CARBOXAMIDINEA,B1FOJ0.71
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.71
SCZ3-cyclopropyl-5-phenyl-N-(pyridin-
3-ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3N0.74
2SC(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-
a]pyrimidin-3-yl)methanol
A2R3O0.71
CT94-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-
3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-
7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE
A1Y910.72
P0419-(cyclopropylamino)-4,6,7,15-
tetrahydro-5H-16,1-(azenometheno)-
10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-
8(9H)-one
A3BE90.76
BMU1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-
3-YL)-3-(4-CHLORO-PHENYL)-UREA
A1KV10.74
DZO3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-
a]pyrimidin-5-amine
A3E7V0.73
NNN(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-
a][1,3,5]triazin-2-yl]amino}butan-
1-ol
A,B,C,D3DOG0.71